1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran

C34H22O — CID 156553333

IUPAC1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3cccc4ccc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H22O/c1-2-11-23(12-3-1)26-15-6-7-17-28(26)33-29-18-8-9-19-30(29)34(35-33)31-20-10-14-25-22-21-24-13-4-5-16-27(24)32(25)31/h1-22H
InChIKeyNMOVUGMMOLNATM-UHFFFAOYSA-N
MW446.55 g/mol
LogP9.74
Rot. Bonds3

About 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran

1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran (PubChem CID 156553333) has the molecular formula C34H22O and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
PubChem CID156553333
Molecular FormulaC34H22O
Molecular Weight446.55 g/mol
Exact Mass446.17
IUPAC Name1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3cccc4ccc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H22O/c1-2-11-23(12-3-1)26-15-6-7-17-28(26)33-29-18-8-9-19-30(29)34(35-33)31-20-10-14-25-22-21-24-13-4-5-16-27(24)32(25)31/h1-22H
InChIKeyNMOVUGMMOLNATM-UHFFFAOYSA-N
XLogP9.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
CID 156553154
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416284
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
2-(4-benzo[c]phenanthren-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 159651717
2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine
CID 156553182
2-phenyl-6-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyrazine
CID 156552837
2-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
CID 156552730
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552693
1-bromo-2-phenylnaphthalene
CID 10956972

Frequently Asked Questions

What is the IUPAC name of 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran?
The IUPAC name of 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran (CID 156553333) is 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran.
What is the SMILES notation for 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran?
The canonical SMILES for 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran is c1ccc(-c2ccccc2-c2oc(-c3cccc4ccc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran?
The InChIKey is NMOVUGMMOLNATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O/c1-2-11-23(12-3-1)26-15-6-7-17-28(26)33-29-18-8-9-19-30(29)34(35-33)31-20-10-14-25-22-21-24-13-4-5-16-27(24)32(25)31/h1-22H.
What are the key properties of 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran?
1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran has a molecular weight of 446.55 g/mol, XLogP of 9.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran is sourced from PubChem (CID 156553333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).